bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride

C18H38Cl2N4 — CID 134128348

IUPACbis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
SMILESCl.Cl.NCC12CCC(CN)(CC1)C2.NCC12CCC(CN)(CC1)C2
InChIInChI=1S/2C9H18N2.2ClH/c2*10-6-8-1-2-9(5-8,7-11)4-3-8;;/h2*1-7,10-11H2;2*1H
InChIKeyYPHIJCHBOZUNJE-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.55
Rot. Bonds4

About bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride

bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride (PubChem CID 134128348) has the molecular formula C18H38Cl2N4 and a molecular weight of 381.44 g/mol. Its IUPAC name is bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride.

Molecular Properties

Compound Namebis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
PubChem CID134128348
Molecular FormulaC18H38Cl2N4
Molecular Weight381.44 g/mol
Exact Mass380.25
IUPAC Namebis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride
SMILESCl.Cl.NCC12CCC(CN)(CC1)C2.NCC12CCC(CN)(CC1)C2
InChIInChI=1S/2C9H18N2.2ClH/c2*10-6-8-1-2-9(5-8,7-11)4-3-8;;/h2*1-7,10-11H2;2*1H
InChIKeyYPHIJCHBOZUNJE-UHFFFAOYSA-N
XLogP2.55
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride?
The IUPAC name of bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride (CID 134128348) is bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride.
What is the SMILES notation for bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride?
The canonical SMILES for bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride is Cl.Cl.NCC12CCC(CN)(CC1)C2.NCC12CCC(CN)(CC1)C2.
What is the InChIKey of bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride?
The InChIKey is YPHIJCHBOZUNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2ClH/c2*10-6-8-1-2-9(5-8,7-11)4-3-8;;/h2*1-7,10-11H2;2*1H.
What are the key properties of bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride?
bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride has a molecular weight of 381.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis([4-(aminomethyl)-1-bicyclo[2.2.1]heptanyl]methanamine);dihydrochloride is sourced from PubChem (CID 134128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).